(Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid

C16H14FNO3 — CID 135993377

IUPAC(Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1cc(CCc2ccc(F)cc2)ccn1
InChIInChI=1S/C16H14FNO3/c17-13-5-3-11(4-6-13)1-2-12-7-8-18-14(9-12)10-15(19)16(20)21/h3-10,19H,1-2H2,(H,20,21)/b15-10-
InChIKeyOYVRXWQDXLJILO-GDNBJRDFSA-N
MW287.29 g/mol
LogP2.99
Rot. Bonds5

About (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid

(Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (PubChem CID 135993377) has the molecular formula C16H14FNO3 and a molecular weight of 287.29 g/mol. Its IUPAC name is (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
PubChem CID135993377
Molecular FormulaC16H14FNO3
Molecular Weight287.29 g/mol
Exact Mass287.10
IUPAC Name(Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1cc(CCc2ccc(F)cc2)ccn1
InChIInChI=1S/C16H14FNO3/c17-13-5-3-11(4-6-13)1-2-12-7-8-18-14(9-12)10-15(19)16(20)21/h3-10,19H,1-2H2,(H,20,21)/b15-10-
InChIKeyOYVRXWQDXLJILO-GDNBJRDFSA-N
XLogP2.99
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The IUPAC name of (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid (CID 135993377) is (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid.
What is the SMILES notation for (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The canonical SMILES for (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is O=C(O)/C(O)=C/c1cc(CCc2ccc(F)cc2)ccn1.
What is the InChIKey of (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
The InChIKey is OYVRXWQDXLJILO-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H14FNO3/c17-13-5-3-11(4-6-13)1-2-12-7-8-18-14(9-12)10-15(19)16(20)21/h3-10,19H,1-2H2,(H,20,21)/b15-10-.
What are the key properties of (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid?
(Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid has a molecular weight of 287.29 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[2-(4-fluorophenyl)ethyl]-2-pyridinyl]-2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 135993377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).